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Journal Article (21)

1.
Journal Article
Zhang, J.; Kremer, K.; Michels, J. J.; Daoulas, K.: Exploring Disordered Morphologies of Blends and Block Copolymers for Light-Emitting Diodes with Mesoscopic Simulations. Macromolecules 53 (231), pp. 523 - 538 (2020)
2.
Journal Article
Greco, C.; Melnyk, A.; Kremer, K.; Andrienko, D.; Daoulas, K. C.: Generic Model for Lamellar Self-Assembly in Conjugated Polymers: Linking Mesoscopic Morphology and Charge Transport in P3HT. Macromolecules 52 (3), pp. 968 - 981 (2019)
3.
Journal Article
Zhang, G.; Chazirakis, A.; Harmandaris, V. A.; Stühn, T.; Daoulas, K. C.; Kremer, K.: Hierarchical modelling of polystyrene melts: from soft blobs to atomistic resolution. Soft Matter 15 (2), pp. 289 - 302 (2019)
4.
Journal Article
Martin, J.; Davidson, E. C.; Greco, C.; Xu, W. M.; Bannock, J. H.; Agirre, A.; de Mello, J.; Segalman, R. A.; Stingelin, N.; Daoulas, K. C.: Temperature-Dependence of Persistence Length Affects Phenomenological Descriptions of Aligning Interactions in Nematic Semiconducting Polymers. Chemistry of Materials 30 (3), pp. 748 - 761 (2018)
5.
Journal Article
Ohkuma, T.; Kremer, K.; Daoulas, K.: Equilibrating high-molecular-weight symmetric and miscible polymer blends with hierarchical back-mapping. Journal of Physics: Condensed Matter 30 (17), 174001 (2018)
6.
Journal Article
Popadic, A.; Svensek, D.; Podgornik, R.; Daoulas, K. C.; Praprotnik, M.: Splay-density coupling in semiflexible main-chain nematic polymers with hairpins. Soft Matter 14 (28), pp. 5898 - 5905 (2018)
7.
Journal Article
Zhang, J.; Mukherji, D.; Kremer, K.; Daoulas, K.: Studying polymer solutions with particle-based models linked to classical density functionals: co-non-solvency. Soft Matter 14 (45), pp. 9282 - 9295 (2018)
8.
Journal Article
Jiang, Y.; Greco, C.; Daoulas, K. C.; Chen, J. Z. Y.: Thermodynamics of a Compressible Maier-Saupe Model Based on the Self-Consistent Field Theory of Wormlike Polymer. Polymers 9 (2), 48 (2017)
9.
Journal Article
Greco, C.; Jiang, Y.; Chen, J. Z. Y.; Kremer, K.; Daoulas, K. C.: Maier-Saupe model of polymer nematics: Comparing free energies calculated with Self Consistent Field theory and Monte Carlo simulations. The Journal of Chemical Physics 145 (18), 184901 (2016)
10.
Journal Article
Tretyakov, N.; Papadopoulos, P.; Vollmer, D.; Butt, H.-J.; Dünweg, B.; Daoulas, K. C.: The Cassie-Wenzel transition of fluids on nanostructured substrates: Macroscopic force balance versus microscopic density-functional theory. The Journal of Chemical Physics 145 (13), 134703 (2016)
11.
Journal Article
Zhang, J.; Mukherji, D.; Daoulas, K. C.: Studying PMMA films on silica surfaces with generic microscopic and mesoscale models. European Physical Journal - Special Topics 225 (8-9), pp. 1423 - 1440 (2016)
12.
Journal Article
Gemünden, P.; Daoulas, K. C.: Fluctuation spectra in polymer nematics and Frank elastic constants: a coarse-grained modelling study. Soft Matter 11 (3), pp. 532 - 544 (2015)
13.
Journal Article
Gemünden, P.; Poelking, C.; Kremer, K.; Daoulas, K.; Andrienko, D.: Effect of Mesoscale Ordering on the Density of States of Polymeric Semiconductors. Macromolecular Rapid Communications 36 (11), pp. 1047 - 1053 (2015)
14.
Journal Article
Zhang, G.; Stuehn, T.; Daoulas, K. C.; Kremer, K.: Communication: One size fits all: Equilibrating chemically different polymer liquids through universal long-wavelength description. The Journal of Chemical Physics 142 (22), 221102 (2015)
15.
Journal Article
Zhang, G.; Moreira, L. A.; Stuehn, T.; Daoulas, K. C.; Kremer, K.: Equilibration of High Molecular Weight Polymer Melts: A Hierarchical Strategy. ACS Macro Letters 3 (2), pp. 198 - 203 (2014)
16.
Journal Article
Daoulas, K. C.; Müller, M.: Exploring thermodynamic stability of the stalk fusion-intermediate with three-dimensional self-consistent field theory calculations. Soft Matter 9 (15), pp. 4097 - 4102 (2013)
17.
Journal Article
Gemünden, P.; Poelking, C.; Kremer, K.; Andrienko, D.; Daoulas, K. C.: Nematic Ordering, Conjugation, and Density of States of Soluble Polymeric Semiconductors. Macromolecules 46 (14), pp. 5762 - 5774 (2013)
18.
Journal Article
Zhang, G.; Daoulas, K. C.; Kremer, K.: A New Coarse Grained Particle-To-Mesh Scheme for Modeling Soft Matter. Macromolecular Chemistry and Physics 214 (2), pp. 214 - 224 (2013)
19.
Journal Article
Daoulas, K. C.; Ruehle, V.; Kremer, K.: Simulations of nematic homopolymer melts using particle-based models with interactions expressed through collective variables. Journal of Physics: Condensed Matter 24 (28), 284121 (2012)
20.
Journal Article
Müller, M.; Daoulas, K. C.: Speeding Up Intrinsically Slow Collective Processes in Particle Simulations by Concurrent Coupling to a Continuum Description. Physical Review Letters 107 (22), 227801 (2011)
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